3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione

C16H22N2O3 — CID 64874866

IUPAC3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C)C(=O)N1CCOc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-3-7-14-15(19)17-12(2)16(20)18(14)10-11-21-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3,(H,17,19)
InChIKeyWPUNDLBUMGPEEX-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.58
Rot. Bonds6

About 3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione

3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione (PubChem CID 64874866) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione
PubChem CID64874866
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C)C(=O)N1CCOc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-3-7-14-15(19)17-12(2)16(20)18(14)10-11-21-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3,(H,17,19)
InChIKeyWPUNDLBUMGPEEX-UHFFFAOYSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione (CID 64874866) is 3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C)C(=O)N1CCOc1ccccc1.
What is the InChIKey of 3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione?
The InChIKey is WPUNDLBUMGPEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-7-14-15(19)17-12(2)16(20)18(14)10-11-21-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione?
3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64874866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).